2-Methylbutanal → HCID 178446095, compound
Reaction equation
[CH3:39][CH:40]([CH:41]=[O:42])[CH2:43][CH3:44].[NH:1]1[CH2:2][CH:3]([CH2:7][NH:8][C:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]([CH2:17][C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])=[O:38])[CH2:4][CH2:5][CH2:6]1>>[N:1]1([CH2:41][CH:40]([CH3:39])[CH2:43][CH3:44])[CH2:2][CH:3]([CH2:7][NH:8][C:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][C:16]([CH2:17][C:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])=[O:38])[CH2:4][CH2:5][CH2:6]1Participants
3
Sources & evidence
- ORD record
- ord-97fb3d14938b45cd88bffac8f5d5692d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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